(Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine

C8H13N3 — CID 130278885

IUPAC(Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine
SMILESCCC1N=CN/C1=C/C=C\N
InChIInChI=1S/C8H13N3/c1-2-7-8(4-3-5-9)11-6-10-7/h3-7H,2,9H2,1H3,(H,10,11)/b5-3-,8-4+
InChIKeyWRVSPGVDQHNYEW-VOGDQUTBSA-N
MW151.21 g/mol
LogP0.75
Rot. Bonds2

About (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine

(Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine (PubChem CID 130278885) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine
PubChem CID130278885
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine
SMILESCCC1N=CN/C1=C/C=C\N
InChIInChI=1S/C8H13N3/c1-2-7-8(4-3-5-9)11-6-10-7/h3-7H,2,9H2,1H3,(H,10,11)/b5-3-,8-4+
InChIKeyWRVSPGVDQHNYEW-VOGDQUTBSA-N
XLogP0.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine?
The IUPAC name of (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine (CID 130278885) is (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine.
What is the SMILES notation for (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine?
The canonical SMILES for (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine is CCC1N=CN/C1=C/C=C\N.
What is the InChIKey of (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine?
The InChIKey is WRVSPGVDQHNYEW-VOGDQUTBSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-7-8(4-3-5-9)11-6-10-7/h3-7H,2,9H2,1H3,(H,10,11)/b5-3-,8-4+.
What are the key properties of (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine?
(Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine is sourced from PubChem (CID 130278885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).